Structure Database (LMSD)

Common Name
nonacosan-10-one
Systematic Name
nonacosan-10-one
Synonyms
  • Ginnone
  • Nonacosan-10-one
LM ID
LMFA12000008
Status
Active
Exact Mass
Calculate m/z
422.448765
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ZPVRGRJHOPAZOE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3
SMILES (Click to copy)
C(=O)(CCCCCCCCC)CCCCCCCCCCCCCCCCCCC

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 516.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 10.74
Molar Refractivity 136.40

Admin

Created at
-
Updated at
-